2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide

C25H33FN2O4 — CID 45171450

IUPAC2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCN(CCC1CCCCO1)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H33FN2O4/c1-27(13-12-21-11-4-5-14-32-21)22(29)16-25(18-7-6-8-19(26)15-18)17-23(30)28(24(25)31)20-9-2-3-10-20/h6-8,15,20-21H,2-5,9-14,16-17H2,1H3
InChIKeyOTVOIZKINBRTLO-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.57
Rot. Bonds7

About 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide

2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide (PubChem CID 45171450) has the molecular formula C25H33FN2O4 and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide
PubChem CID45171450
Molecular FormulaC25H33FN2O4
Molecular Weight444.55 g/mol
Exact Mass444.24
IUPAC Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCN(CCC1CCCCO1)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C25H33FN2O4/c1-27(13-12-21-11-4-5-14-32-21)22(29)16-25(18-7-6-8-19(26)15-18)17-23(30)28(24(25)31)20-9-2-3-10-20/h6-8,15,20-21H,2-5,9-14,16-17H2,1H3
InChIKeyOTVOIZKINBRTLO-UHFFFAOYSA-N
XLogP3.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide (CID 45171450) is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide is CN(CCC1CCCCO1)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide?
The InChIKey is OTVOIZKINBRTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O4/c1-27(13-12-21-11-4-5-14-32-21)22(29)16-25(18-7-6-8-19(26)15-18)17-23(30)28(24(25)31)20-9-2-3-10-20/h6-8,15,20-21H,2-5,9-14,16-17H2,1H3.
What are the key properties of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide?
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide has a molecular weight of 444.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(oxan-2-yl)ethyl]acetamide is sourced from PubChem (CID 45171450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).